5-bromo-N-methyl-2-(5-methylthiophen-2-yl)pyrimidin-4-amine

C10H10BrN3S — CID 66295477

IUPAC5-bromo-N-methyl-2-(5-methylthiophen-2-yl)pyrimidin-4-amine
SMILESCNc1nc(-c2ccc(C)s2)ncc1Br
InChIInChI=1S/C10H10BrN3S/c1-6-3-4-8(15-6)10-13-5-7(11)9(12-2)14-10/h3-5H,1-2H3,(H,12,13,14)
InChIKeyHHISAMYMJFVETR-UHFFFAOYSA-N
MW284.18 g/mol
LogP3.32
Rot. Bonds2

About 5-bromo-N-methyl-2-(5-methylthiophen-2-yl)pyrimidin-4-amine

5-bromo-N-methyl-2-(5-methylthiophen-2-yl)pyrimidin-4-amine (PubChem CID 66295477) has the molecular formula C10H10BrN3S and a molecular weight of 284.18 g/mol. Its IUPAC name is 5-bromo-N-methyl-2-(5-methylthiophen-2-yl)pyrimidin-4-amine.

Molecular Properties

Compound Name5-bromo-N-methyl-2-(5-methylthiophen-2-yl)pyrimidin-4-amine
PubChem CID66295477
Molecular FormulaC10H10BrN3S
Molecular Weight284.18 g/mol
Exact Mass282.98
IUPAC Name5-bromo-N-methyl-2-(5-methylthiophen-2-yl)pyrimidin-4-amine
SMILESCNc1nc(-c2ccc(C)s2)ncc1Br
InChIInChI=1S/C10H10BrN3S/c1-6-3-4-8(15-6)10-13-5-7(11)9(12-2)14-10/h3-5H,1-2H3,(H,12,13,14)
InChIKeyHHISAMYMJFVETR-UHFFFAOYSA-N
XLogP3.32
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.18
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-N-methyl-2-(6-methyl-3-pyridinyl)pyrimidin-4-amine
CID 104823414
6,8-dibromo-N-methyl-2-(5-methylthiophen-2-yl)quinazolin-4-amine
CID 64980923
5-bromo-N-methyl-2-(5-methylfuran-2-yl)pyrimidin-4-amine
CID 66297025
5-bromo-2-(3,4-dibromophenyl)-N-methylpyrimidin-4-amine
CID 114077544
5-bromo-2-(5-chlorothiophen-2-yl)-N-ethylpyrimidin-4-amine
CID 66295486
5-bromo-2-(5-chlorothiophen-2-yl)-N-propylpyrimidin-4-amine
CID 66297613
5-bromo-2-[4-(dimethylamino)phenyl]-N-methylpyrimidin-4-amine
CID 66296832
5-bromo-2-(2-chlorophenyl)-N-methylpyrimidin-4-amine
CID 66301431
4-methyl-2-(5-methylthiophen-2-yl)pyrimidin-5-amine
CID 130756454
5-bromo-N-methyl-2-[4-(trifluoromethyl)phenyl]pyrimidin-4-amine
CID 66297991
5-bromo-N-methyl-2-(1H-1,2,4-triazol-5-yl)pyrimidin-4-amine
CID 66304283
5-bromo-2-(4-methoxy-3-methylphenyl)-N-methylpyrimidin-4-amine
CID 66296448

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-methyl-2-(5-methylthiophen-2-yl)pyrimidin-4-amine?
The IUPAC name of 5-bromo-N-methyl-2-(5-methylthiophen-2-yl)pyrimidin-4-amine (CID 66295477) is 5-bromo-N-methyl-2-(5-methylthiophen-2-yl)pyrimidin-4-amine.
What is the SMILES notation for 5-bromo-N-methyl-2-(5-methylthiophen-2-yl)pyrimidin-4-amine?
The canonical SMILES for 5-bromo-N-methyl-2-(5-methylthiophen-2-yl)pyrimidin-4-amine is CNc1nc(-c2ccc(C)s2)ncc1Br.
What is the InChIKey of 5-bromo-N-methyl-2-(5-methylthiophen-2-yl)pyrimidin-4-amine?
The InChIKey is HHISAMYMJFVETR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrN3S/c1-6-3-4-8(15-6)10-13-5-7(11)9(12-2)14-10/h3-5H,1-2H3,(H,12,13,14).
What are the key properties of 5-bromo-N-methyl-2-(5-methylthiophen-2-yl)pyrimidin-4-amine?
5-bromo-N-methyl-2-(5-methylthiophen-2-yl)pyrimidin-4-amine has a molecular weight of 284.18 g/mol, XLogP of 3.32, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-methyl-2-(5-methylthiophen-2-yl)pyrimidin-4-amine is sourced from PubChem (CID 66295477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).